Basic information
- CAS
1504957-59-8- Standard SMILES
CCc1nc(NC)cc(NCCN(C)CC)n1- InChIKey
HLJMQOKHRRFUMP-UHFFFAOYSA-N- Molecular formula
- C12H23N5
- Average molar mass
- 237.34 g/mol
- Monoisotopic mass
- 237.19534575
Names & identifiers
- Preferred name
- 2-Ethyl-N~4~-{2-[ethyl(methyl)amino]ethyl}-N~6~-methylpyrimidine-4,6-diamine
- IUPAC
- 2-ethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-6-N-methylpyrimidine-4,6-diamine
Names & synonyms
DTXSID501149771AKOS0195031684,6-Pyrimidinediamine, 2-ethyl-N4-[2-(ethylmethylamino)ethyl]-N6-methyl-2-Ethyl-N~4~-{2-[ethyl(methyl)amino]ethyl}-N~6~-methylpyrimidine-4,6-diamine1504957-59-8
Database identifiers
- CAS
1504957-59-8- PubChem CID
- 80934335
- DTXSID
DTXSID501149771
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 199
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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